[2-(2-bromophenyl)sulfanyl-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine

C14H18Br2N4S — CID 105238052

IUPAC[2-(2-bromophenyl)sulfanyl-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine
SMILESCC(C)n1ncc(Br)c1C(CSc1ccccc1Br)NN
InChIInChI=1S/C14H18Br2N4S/c1-9(2)20-14(11(16)7-18-20)12(19-17)8-21-13-6-4-3-5-10(13)15/h3-7,9,12,19H,8,17H2,1-2H3
InChIKeyBXUIXSOCPFTYNE-UHFFFAOYSA-N
MW434.20 g/mol
LogP4.29
Rot. Bonds6

About [2-(2-bromophenyl)sulfanyl-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine

[2-(2-bromophenyl)sulfanyl-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine (PubChem CID 105238052) has the molecular formula C14H18Br2N4S and a molecular weight of 434.20 g/mol. Its IUPAC name is [2-(2-bromophenyl)sulfanyl-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromophenyl)sulfanyl-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine
PubChem CID105238052
Molecular FormulaC14H18Br2N4S
Molecular Weight434.20 g/mol
Exact Mass431.96
IUPAC Name[2-(2-bromophenyl)sulfanyl-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine
SMILESCC(C)n1ncc(Br)c1C(CSc1ccccc1Br)NN
InChIInChI=1S/C14H18Br2N4S/c1-9(2)20-14(11(16)7-18-20)12(19-17)8-21-13-6-4-3-5-10(13)15/h3-7,9,12,19H,8,17H2,1-2H3
InChIKeyBXUIXSOCPFTYNE-UHFFFAOYSA-N
XLogP4.29
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.20
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237087
[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine
CID 105236300
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethanol
CID 114644213
[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentyl]hydrazine
CID 105337015
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)nonylhydrazine
CID 105337039
[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025491
2-(3-bromophenyl)sulfanyl-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine
CID 114656355
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2-bromophenyl)sulfanyl-N-methylethanamine
CID 114656321
[2-(2-bromophenyl)sulfanyl-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105238032
3-[2-(2-bromophenyl)sulfanyl-1-hydrazinylethyl]pyridin-4-amine
CID 105238112
[2-(2-bromophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine
CID 105238198
[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethylbutyl]hydrazine
CID 105336913

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromophenyl)sulfanyl-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-bromophenyl)sulfanyl-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine (CID 105238052) is [2-(2-bromophenyl)sulfanyl-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-bromophenyl)sulfanyl-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-bromophenyl)sulfanyl-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine is CC(C)n1ncc(Br)c1C(CSc1ccccc1Br)NN.
What is the InChIKey of [2-(2-bromophenyl)sulfanyl-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine?
The InChIKey is BXUIXSOCPFTYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N4S/c1-9(2)20-14(11(16)7-18-20)12(19-17)8-21-13-6-4-3-5-10(13)15/h3-7,9,12,19H,8,17H2,1-2H3.
What are the key properties of [2-(2-bromophenyl)sulfanyl-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine?
[2-(2-bromophenyl)sulfanyl-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine has a molecular weight of 434.20 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromophenyl)sulfanyl-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine is sourced from PubChem (CID 105238052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).